(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine

C21H27N3O2 — CID 68538619

IUPAC(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
SMILESc1ccc(C(Oc2ccccc2N2CCNCC2)[C@@H]2CNCCO2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-6-17(7-3-1)21(20-16-23-12-15-25-20)26-19-9-5-4-8-18(19)24-13-10-22-11-14-24/h1-9,20-23H,10-16H2/t20-,21?/m0/s1
InChIKeyUKJBRFPPGUEZJW-BGERDNNASA-N
MW353.47 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine

(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine (PubChem CID 68538619) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
PubChem CID68538619
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine
SMILESc1ccc(C(Oc2ccccc2N2CCNCC2)[C@@H]2CNCCO2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-6-17(7-3-1)21(20-16-23-12-15-25-20)26-19-9-5-4-8-18(19)24-13-10-22-11-14-24/h1-9,20-23H,10-16H2/t20-,21?/m0/s1
InChIKeyUKJBRFPPGUEZJW-BGERDNNASA-N
XLogP2.20
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine?
The IUPAC name of (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine (CID 68538619) is (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine.
What is the SMILES notation for (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine?
The canonical SMILES for (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine is c1ccc(C(Oc2ccccc2N2CCNCC2)[C@@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine?
The InChIKey is UKJBRFPPGUEZJW-BGERDNNASA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-6-17(7-3-1)21(20-16-23-12-15-25-20)26-19-9-5-4-8-18(19)24-13-10-22-11-14-24/h1-9,20-23H,10-16H2/t20-,21?/m0/s1.
What are the key properties of (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine?
(2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine has a molecular weight of 353.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[phenyl-(2-piperazin-1-ylphenoxy)methyl]morpholine is sourced from PubChem (CID 68538619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).